4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid

C14H9ClN2O2 — CID 117158552

IUPAC4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3cc(Cl)ccn23)cc1
InChIInChI=1S/C14H9ClN2O2/c15-11-5-6-17-12(7-11)8-16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8H,(H,18,19)
InChIKeyPPISGIGBLBXANU-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.35
Rot. Bonds2

About 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid

4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid (PubChem CID 117158552) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
PubChem CID117158552
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3cc(Cl)ccn23)cc1
InChIInChI=1S/C14H9ClN2O2/c15-11-5-6-17-12(7-11)8-16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8H,(H,18,19)
InChIKeyPPISGIGBLBXANU-UHFFFAOYSA-N
XLogP3.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid (CID 117158552) is 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2ncc3cc(Cl)ccn23)cc1.
What is the InChIKey of 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The InChIKey is PPISGIGBLBXANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-5-6-17-12(7-11)8-16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8H,(H,18,19).
What are the key properties of 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid has a molecular weight of 272.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).